1,1-diethoxyethane

C6H14O2 — CID 7765

IUPAC1,1-diethoxyethane
SMILESCCOC(C)OCC
InChIInChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
InChIKeyDHKHKXVYLBGOIT-UHFFFAOYSA-N
MW118.18 g/mol
LogP1.41
Rot. Bonds4

About 1,1-diethoxyethane

1,1-diethoxyethane (PubChem CID 7765) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is 1,1-diethoxyethane.

Molecular Properties

Compound Name1,1-diethoxyethane
PubChem CID7765
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name1,1-diethoxyethane
SMILESCCOC(C)OCC
InChIInChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
InChIKeyDHKHKXVYLBGOIT-UHFFFAOYSA-N
XLogP1.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
cyclopropane;1,1-diethoxyethane
CID 67020569
1-[(1R)-1-ethoxyethoxy]-2-methylpropane
CID 40566537
carbonic acid;1,1-diethoxyethane
CID 87827362
acetaldehyde;butane;1,1-diethoxyethane
CID 87162704
1,1-diethoxyethane;1,3,5-trimethylbenzene
CID 66684886
1,1-diethoxyethane;2-methylpropanedial
CID 88830026
1,1-dimethoxyethane;1-ethoxy-1-methoxyethane
CID 175467857
1,1-diethoxyethane;methane;propane-1,2,3-triol
CID 90107522

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethane?
The IUPAC name of 1,1-diethoxyethane (CID 7765) is 1,1-diethoxyethane.
What is the SMILES notation for 1,1-diethoxyethane?
The canonical SMILES for 1,1-diethoxyethane is CCOC(C)OCC.
What is the InChIKey of 1,1-diethoxyethane?
The InChIKey is DHKHKXVYLBGOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3.
What are the key properties of 1,1-diethoxyethane?
1,1-diethoxyethane has a molecular weight of 118.18 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane is sourced from PubChem (CID 7765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).